#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2km6 s THR 4 N 0.00 4.26 0.07 1.12 -4.23 -1.26 -4.97 115.64 110.62 2km6 s THR 4 Ca 0.00 1.64 -0.28 0.00 -1.18 0.00 0.00 61.69 61.87 2km6 s THR 4 Cb 0.00 -4.05 -0.17 0.00 1.34 0.00 0.00 72.50 69.62 2km6 s THR 4 CO 0.00 0.13 1.61 0.28 -0.54 0.00 0.00 174.62 176.10 2km6 h SER 5 N 6.72 -0.40 -0.13 3.99 0.02 -2.06 -0.04 113.55 121.66 2km6 h SER 5 Ca -0.42 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2km6 h SER 5 Cb 1.22 0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 2km6 h SER 5 CO 0.79 -0.24 0.06 -0.65 -1.14 0.00 0.00 176.83 175.65 2km6 h PRO 6 N -0.53 0.18 0.00 3.45 0.11 -2.00 -2.67 132.00 130.53 2km6 h PRO 6 Ca -0.05 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 66.00 2km6 h PRO 6 Cb 0.40 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.47 2km6 h PRO 6 CO 0.08 0.23 -0.16 1.96 -0.21 0.00 0.00 178.00 179.90 2km6 h GLN 7 N 0.08 0.00 0.85 1.05 7.50 -1.97 0.12 115.11 122.74 2km6 h GLN 7 Ca 0.04 0.00 -0.04 0.00 0.50 0.00 0.00 58.65 59.15 2km6 h GLN 7 Cb 0.11 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.65 2km6 h GLN 7 CO -0.01 0.16 -0.41 1.25 -1.50 0.00 0.00 178.83 178.33 2km6 h LEU 8 N 0.00 -0.97 -0.86 1.46 7.12 -0.66 -0.42 115.31 120.99 2km6 h LEU 8 Ca -0.00 0.03 -0.12 0.00 0.13 0.00 0.00 57.88 57.92 2km6 h LEU 8 Cb 0.29 0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 40.66 2km6 h LEU 8 CO 0.02 -0.63 -0.44 -0.08 -0.13 0.00 0.00 178.44 177.17 2km6 h GLU 9 N -1.26 0.28 -0.34 1.25 4.81 -1.36 -2.77 114.58 115.19 2km6 h GLU 9 Ca -0.12 -0.14 0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2km6 h GLU 9 Cb 0.87 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.20 2km6 h GLU 9 CO 0.19 0.67 -0.01 2.35 -0.73 0.00 0.00 179.01 181.49 2km6 h TRP 10 N 0.23 -0.03 -0.65 0.92 7.01 -0.69 0.21 115.95 122.94 2km6 h TRP 10 Ca 0.02 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.06 2km6 h TRP 10 Cb 0.88 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 2km6 h TRP 10 CO 0.02 -0.07 0.41 1.15 -2.79 0.00 0.00 178.44 177.16 2km6 h THR 11 N 0.09 1.11 -0.07 2.65 2.02 -0.79 0.16 112.91 118.07 2km6 h THR 11 Ca 0.16 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 2km6 h THR 11 Cb 0.23 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2km6 h THR 11 CO -0.28 0.15 0.02 -0.07 0.37 0.00 0.00 175.52 175.71 2km6 h LEU 12 N 0.82 0.11 -0.83 2.58 3.38 -1.27 -2.85 115.31 117.24 2km6 h LEU 12 Ca 0.26 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 2km6 h LEU 12 Cb -0.01 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2km6 h LEU 12 CO -0.09 0.32 0.06 0.06 0.09 0.00 0.00 178.44 178.87 2km6 h GLN 13 N -0.10 0.93 -0.10 1.13 3.07 -0.17 -1.61 115.11 118.26 2km6 h GLN 13 Ca 0.02 -0.24 -0.01 0.00 0.09 0.00 0.00 58.65 58.51 2km6 h GLN 13 Cb 0.25 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 27.69 2km6 h GLN 13 CO 0.00 0.89 0.02 1.15 0.09 0.00 0.00 178.83 180.97 2km6 h THR 14 N 0.87 1.06 0.06 1.86 2.02 -0.58 0.57 112.91 118.77 2km6 h THR 14 Ca 0.17 -0.20 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 2km6 h THR 14 Cb 0.43 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.82 2km6 h THR 14 CO 0.01 0.07 -0.56 -0.07 0.37 0.00 0.00 175.52 175.34 2km6 h LEU 15 N 0.14 0.39 -0.37 2.58 3.38 -1.20 -3.29 115.31 116.94 2km6 h LEU 15 Ca 0.04 -0.87 0.00 0.00 0.09 0.00 0.00 57.88 57.13 2km6 h LEU 15 Cb 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.70 2km6 h LEU 15 CO -0.00 1.22 0.00 -0.07 0.09 0.00 0.00 178.44 179.68 2km6 h LEU 16 N -0.39 0.00 0.00 1.67 3.38 -0.34 -1.22 115.31 118.41 2km6 h LEU 16 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2km6 h LEU 16 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2km6 h LEU 16 CO 0.11 0.00 -0.11 -0.62 0.09 0.00 0.00 178.44 177.91 2km6 n GLU 17 N -2.33 0.18 -0.11 1.13 1.02 0.19 -3.56 120.64 117.16 2km6 n GLU 17 Ca 0.04 0.12 -0.23 0.00 -0.02 0.00 0.00 57.16 57.07 2km6 n GLU 17 Cb 0.34 -1.68 -0.10 0.00 -0.02 0.00 0.00 31.44 29.98 2km6 n GLU 17 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2km6 n GLN 18 N -1.98 0.56 -3.31 3.49 6.02 -0.60 -4.81 117.38 116.75 2km6 n GLN 18 Ca 0.06 0.44 -0.41 0.00 -0.01 0.00 0.00 57.00 57.08 2km6 n GLN 18 Cb 0.40 -1.63 -0.08 0.00 1.02 0.00 0.00 30.24 29.94 2km6 n GLN 18 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 2km6 s LEU 19 N -7.77 4.33 0.00 1.08 0.05 -0.57 -4.73 118.68 111.08 2km6 s LEU 19 Ca -0.32 -0.04 0.00 0.00 0.05 0.00 0.00 54.13 53.82 2km6 s LEU 19 Cb 0.09 -2.49 0.00 0.00 -2.05 0.00 0.00 46.19 41.74 2km6 s LEU 19 CO 0.52 -0.39 0.00 -0.46 -0.55 0.00 0.00 176.35 175.47 2km6 n ASN 20 N 5.56 0.00 0.00 1.48 0.23 -1.26 -4.49 115.26 116.78 2km6 n ASN 20 Ca -0.07 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 53.98 2km6 n ASN 20 Cb 0.49 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.19 2km6 n ASN 20 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2km6 n GLU 21 N -0.53 0.00 0.00 -3.83 2.13 -1.26 -3.33 120.64 113.82 2km6 n GLU 21 Ca 0.00 0.13 0.09 0.00 0.66 0.00 0.00 57.16 58.03 2km6 n GLU 21 Cb 0.00 -1.09 -0.09 0.00 0.27 0.00 0.00 31.44 30.53 2km6 n GLU 21 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2km6 n ASP 22 N -0.88 0.95 0.09 4.31 2.03 -1.26 -4.41 116.55 117.38 2km6 n ASP 22 Ca 0.00 -0.98 -0.09 0.00 0.52 0.00 0.00 54.79 54.25 2km6 n ASP 22 Cb 0.00 0.94 -0.02 0.00 -0.72 0.00 0.00 41.12 41.32 2km6 n ASP 22 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2km6 h GLU 23 N 0.23 0.18 0.00 -0.67 4.39 -1.91 -2.97 114.58 113.83 2km6 h GLU 23 Ca 0.00 -0.20 -0.10 0.00 0.34 0.00 0.00 59.36 59.40 2km6 h GLU 23 Cb 0.45 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2km6 h GLU 23 CO 0.00 0.96 -0.48 1.25 -1.16 0.00 0.00 179.01 179.57 2km6 h LEU 24 N 0.09 0.00 -0.66 1.33 5.85 -1.76 -1.63 115.31 118.54 2km6 h LEU 24 Ca -0.04 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2km6 h LEU 24 Cb 1.54 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 2km6 h LEU 24 CO 0.14 0.48 0.02 0.11 -0.34 0.00 0.00 178.44 178.85 2km6 h LYS 25 N 0.00 1.06 0.50 1.25 1.57 -1.78 0.36 116.57 119.52 2km6 h LYS 25 Ca -0.00 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.43 2km6 h LYS 25 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.14 2km6 h LYS 25 CO 0.06 1.02 -0.24 0.77 -0.57 0.00 0.00 179.45 180.50 2km6 h SER 26 N 0.97 -0.56 -0.47 0.86 0.02 -1.46 -2.65 113.55 110.26 2km6 h SER 26 Ca 0.18 -0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.16 2km6 h SER 26 Cb 0.54 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 63.16 2km6 h SER 26 CO 0.03 -0.31 0.12 0.15 -1.14 0.00 0.00 176.83 175.68 2km6 h PHE 27 N -0.80 0.19 -0.24 3.45 3.04 -0.83 0.20 116.94 121.95 2km6 h PHE 27 Ca -0.07 0.03 0.05 0.00 3.98 0.00 0.00 57.97 61.96 2km6 h PHE 27 Cb 0.57 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.01 2km6 h PHE 27 CO -0.01 0.03 -0.10 0.87 -2.02 0.00 0.00 178.31 177.08 2km6 h LYS 28 N 0.26 -0.05 -0.05 1.11 1.57 -0.32 0.18 116.57 119.27 2km6 h LYS 28 Ca 0.23 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2km6 h LYS 28 Cb 0.28 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2km6 h LYS 28 CO -0.28 -0.03 0.02 0.77 -0.57 0.00 0.00 179.45 179.35 2km6 h SER 29 N -0.05 0.08 -0.25 0.86 0.02 -1.00 -2.53 113.55 110.67 2km6 h SER 29 Ca 0.13 -0.20 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2km6 h SER 29 Cb 0.24 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 2km6 h SER 29 CO -0.28 0.25 0.06 -0.07 -1.14 0.00 0.00 176.83 175.65 2km6 h LEU 30 N -0.10 0.45 -0.91 5.07 3.38 -0.37 -1.56 115.31 121.27 2km6 h LEU 30 Ca 0.02 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 2km6 h LEU 30 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 2km6 h LEU 30 CO -0.00 0.48 -0.19 0.17 0.09 0.00 0.00 178.44 178.98 2km6 h LEU 31 N 0.48 0.00 0.00 1.67 8.10 -0.51 -2.03 115.31 123.02 2km6 h LEU 31 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.10 2km6 h LEU 31 Cb 0.23 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.45 2km6 h LEU 31 CO 0.00 0.19 0.00 1.87 -4.11 0.00 0.00 178.44 176.40 2km6 n TRP 32 N -3.29 0.00 0.62 0.17 -0.00 -0.59 -2.44 117.44 111.91 2km6 n TRP 32 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.61 2km6 n TRP 32 Cb 0.46 -0.06 -0.13 0.00 -0.00 0.00 0.00 31.31 31.58 2km6 n TRP 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2km6 n ALA 33 N -1.06 3.97 -1.43 5.87 0.00 -0.76 -4.99 120.51 122.11 2km6 n ALA 33 Ca 0.18 -0.54 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 2km6 n ALA 33 Cb 0.11 -0.71 0.06 0.00 0.00 0.00 0.00 19.45 18.91 2km6 n ALA 33 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2km6 s PHE 34 N -3.06 2.74 -0.44 0.00 -0.12 -1.02 -4.93 117.98 111.16 2km6 s PHE 34 Ca 0.02 1.52 -0.28 0.00 -0.05 0.00 0.00 56.93 58.14 2km6 s PHE 34 Cb 0.14 -3.04 -0.00 0.00 -0.63 0.00 0.00 43.02 39.49 2km6 s PHE 34 CO 0.83 -1.58 1.59 -1.25 -0.05 0.00 0.00 175.22 174.76 2km6 s PRO 35 N -4.63 3.34 0.51 1.99 0.04 -1.26 -4.98 135.00 130.01 2km6 s PRO 35 Ca 0.62 0.97 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 2km6 s PRO 35 Cb -0.17 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 2km6 s PRO 35 CO 0.50 -1.86 1.15 -0.51 0.04 0.00 0.00 177.00 176.32 2km6 s LEU 36 N 6.44 3.86 0.00 -3.56 1.02 -1.26 -5.05 118.68 120.12 2km6 s LEU 36 Ca 0.66 2.25 0.02 0.00 0.02 0.00 0.00 54.13 57.09 2km6 s LEU 36 Cb -0.16 -4.43 0.02 0.00 0.02 0.00 0.00 46.19 41.64 2km6 s LEU 36 CO 0.30 -1.12 0.19 -0.62 0.02 0.00 0.00 176.35 175.13 2km6 n GLU 37 N -0.97 0.84 0.09 1.70 1.02 -1.26 -4.92 120.64 117.15 2km6 n GLU 37 Ca 0.10 -3.12 0.04 0.00 -0.02 0.00 0.00 57.16 54.15 2km6 n GLU 37 Cb 0.50 0.58 0.44 0.00 -0.02 0.00 0.00 31.44 32.93 2km6 n GLU 37 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2km6 h ASP 38 N 0.80 0.29 1.08 1.62 3.32 -1.96 0.50 116.42 122.07 2km6 h ASP 38 Ca -0.34 -0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.50 2km6 h ASP 38 Cb 1.12 -0.07 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 2km6 h ASP 38 CO 0.54 0.32 -0.87 0.58 -1.72 0.00 0.00 179.24 178.09 2km6 h VAL 39 N 0.32 1.51 -0.01 -1.35 2.07 -1.96 -3.21 116.25 113.63 2km6 h VAL 39 Ca 0.08 -3.08 0.00 0.00 0.82 0.00 0.00 66.70 64.52 2km6 h VAL 39 Cb 0.16 2.71 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2km6 h VAL 39 CO -0.00 0.85 -0.19 0.18 0.02 0.00 0.00 177.57 178.43 2km6 n LEU 40 N -3.35 0.76 -3.87 2.57 7.99 -0.51 -4.67 117.00 115.92 2km6 n LEU 40 Ca 0.00 -0.13 -0.41 0.00 -0.01 0.00 0.00 56.01 55.46 2km6 n LEU 40 Cb 0.87 -0.15 -0.02 0.00 -0.11 0.00 0.00 43.42 44.01 2km6 n LEU 40 CO 0.45 0.14 2.31 1.67 -1.51 0.00 0.00 177.39 180.46 2km6 n GLN 41 N -0.80 2.34 0.00 3.23 -0.06 0.05 -3.06 117.38 119.08 2km6 n GLN 41 Ca 0.13 -2.42 0.00 0.00 -2.00 0.00 0.00 57.00 52.71 2km6 n GLN 41 Cb 0.32 -3.23 0.00 0.00 -4.06 0.00 0.00 30.24 23.27 2km6 n GLN 41 CO 0.00 0.00 0.00 0.36 -0.20 0.00 0.00 177.06 177.22 2km6 n LYS 42 N 6.87 0.00 -2.38 3.69 2.85 -1.26 -5.05 118.16 122.88 2km6 n LYS 42 Ca 0.50 0.00 -0.01 0.00 -1.05 0.00 0.00 58.31 57.75 2km6 n LYS 42 Cb 0.41 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.78 2km6 n LYS 42 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2km6 n THR 43 N 0.00 -8.11 -1.79 0.58 -1.04 -1.17 -4.70 114.28 98.04 2km6 n THR 43 Ca 0.00 1.85 -0.20 0.00 -2.04 0.00 0.00 64.05 63.66 2km6 n THR 43 Cb 0.00 -4.45 -0.08 0.00 -1.82 0.00 0.00 70.33 63.97 2km6 n THR 43 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2km6 s PRO 44 N -0.37 1.81 0.41 -2.82 0.04 -1.26 -4.74 135.00 128.07 2km6 s PRO 44 Ca -0.05 -0.45 0.08 0.00 0.04 0.00 0.00 61.00 60.62 2km6 s PRO 44 Cb 0.00 -5.03 0.87 0.00 0.04 0.00 0.00 34.50 30.38 2km6 s PRO 44 CO 0.14 -4.60 2.04 2.35 0.04 0.00 0.00 177.00 176.96 2km6 h TRP 45 N 11.24 0.53 -0.41 0.56 2.91 -1.98 -0.27 115.95 128.54 2km6 h TRP 45 Ca 0.08 0.01 0.03 0.00 1.13 0.00 0.00 58.89 60.14 2km6 h TRP 45 Cb 0.98 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.43 2km6 h TRP 45 CO 1.13 0.32 0.27 0.77 -1.03 0.00 0.00 178.44 179.90 2km6 h SER 46 N 0.56 0.39 0.45 2.65 0.02 -1.99 0.26 113.55 115.89 2km6 h SER 46 Ca 0.18 -0.01 -0.31 0.00 -0.84 0.00 0.00 61.79 60.82 2km6 h SER 46 Cb 0.04 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2km6 h SER 46 CO -0.04 0.27 -1.46 -0.33 -1.14 0.00 0.00 176.83 174.13 2km6 h GLU 47 N 0.46 0.31 -0.08 3.45 5.08 -1.49 -3.21 114.58 119.09 2km6 h GLU 47 Ca 0.16 -0.53 -0.07 0.00 -1.00 0.00 0.00 59.36 57.92 2km6 h GLU 47 Cb 0.09 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2km6 h GLU 47 CO -0.04 1.21 -0.26 -0.39 -1.00 0.00 0.00 179.01 178.53 2km6 h VAL 48 N 0.08 1.22 -0.41 3.13 -1.51 -0.18 -1.50 116.25 117.08 2km6 h VAL 48 Ca -0.22 -1.04 -0.04 0.00 -1.23 0.00 0.00 66.70 64.16 2km6 h VAL 48 Cb 2.03 1.45 -0.02 0.00 -2.13 0.00 0.00 31.29 32.63 2km6 h VAL 48 CO 0.19 0.31 0.08 -0.33 -1.23 0.00 0.00 177.57 176.59 2km6 h GLU 49 N 0.12 0.68 -0.59 5.19 4.39 -0.60 -2.76 114.58 121.00 2km6 h GLU 49 Ca 0.02 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.55 2km6 h GLU 49 Cb 0.53 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2km6 h GLU 49 CO 0.04 0.70 0.00 0.39 -1.16 0.00 0.00 179.01 178.98 2km6 n GLU 50 N -4.53 2.40 -3.56 2.33 1.02 -1.06 -4.85 120.64 112.40 2km6 n GLU 50 Ca -0.00 -2.18 -0.21 0.00 -0.02 0.00 0.00 57.16 54.76 2km6 n GLU 50 Cb 0.22 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 30.16 2km6 n GLU 50 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2km6 s ALA 51 N -1.22 4.03 -0.08 0.62 0.00 -0.59 -5.08 121.76 119.45 2km6 s ALA 51 Ca 0.41 -1.29 -0.26 0.00 0.00 0.00 0.00 51.96 50.82 2km6 s ALA 51 Cb 0.21 -1.79 0.06 0.00 0.00 0.00 0.00 23.12 21.60 2km6 s ALA 51 CO 0.28 0.01 0.60 0.16 0.00 0.00 0.00 175.76 176.81 2km6 s ASP 52 N -4.11 -0.58 0.31 0.00 -4.77 -1.26 -4.85 116.67 101.42 2km6 s ASP 52 Ca 0.41 0.73 0.00 0.00 -3.30 0.00 0.00 52.55 50.39 2km6 s ASP 52 Cb -0.09 0.66 0.00 0.00 -1.09 0.00 0.00 42.92 42.40 2km6 s ASP 52 CO 0.32 -0.49 0.00 0.61 0.70 0.00 0.00 175.17 176.30 2km6 n GLY 53 N 1.38 0.93 0.11 2.12 0.00 -1.23 -0.93 105.19 107.56 2km6 n GLY 53 Ca -0.18 0.73 -0.12 0.00 0.00 0.00 0.00 46.02 46.45 2km6 n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2km6 h LYS 54 N 0.00 -0.12 -0.62 1.61 3.11 -1.82 -2.14 116.57 116.59 2km6 h LYS 54 Ca 0.00 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.91 2km6 h LYS 54 Cb 0.00 0.03 -0.04 0.00 -1.00 0.00 0.00 32.23 31.22 2km6 h LYS 54 CO 0.00 -0.08 0.41 0.87 -2.81 0.00 0.00 179.45 177.84 2km6 h LYS 55 N -0.12 0.58 -0.50 1.90 1.79 -1.43 -1.01 116.57 117.77 2km6 h LYS 55 Ca 0.02 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.33 2km6 h LYS 55 Cb 0.15 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 2km6 h LYS 55 CO -0.06 0.38 -0.17 1.25 -1.08 0.00 0.00 179.45 179.78 2km6 h LEU 56 N 0.60 1.01 -1.63 2.94 5.85 -1.39 -2.44 115.31 120.25 2km6 h LEU 56 Ca 0.27 -0.36 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2km6 h LEU 56 Cb 0.29 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2km6 h LEU 56 CO -0.08 1.16 0.19 0.00 -0.34 0.00 0.00 178.44 179.37 2km6 h ALA 57 N 0.92 1.72 -0.20 1.25 0.00 -0.86 -0.81 119.26 121.29 2km6 h ALA 57 Ca 0.12 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2km6 h ALA 57 Cb 0.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2km6 h ALA 57 CO 0.06 0.24 -0.39 1.49 0.00 0.00 0.00 179.25 180.65 2km6 h GLU 58 N 0.45 0.45 -0.11 0.00 4.81 -0.97 -1.11 114.58 118.10 2km6 h GLU 58 Ca 0.12 -0.22 -0.20 0.00 -0.13 0.00 0.00 59.36 58.93 2km6 h GLU 58 Cb -0.01 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2km6 h GLU 58 CO -0.02 0.77 -0.76 0.82 -0.73 0.00 0.00 179.01 179.09 2km6 h ILE 59 N 0.37 1.33 -0.09 2.32 2.04 -0.76 -1.73 117.51 121.00 2km6 h ILE 59 Ca 0.04 -2.06 -0.00 0.00 1.00 0.00 0.00 64.86 63.83 2km6 h ILE 59 Cb 0.85 2.05 -0.00 0.00 -0.74 0.00 0.00 36.82 38.98 2km6 h ILE 59 CO 0.07 0.64 0.05 -0.07 0.00 0.00 0.00 178.15 178.84 2km6 h LEU 60 N 0.40 0.12 -1.40 1.44 -0.00 -0.87 -2.65 115.31 112.35 2km6 h LEU 60 Ca -0.04 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.74 2km6 h LEU 60 Cb 1.36 -0.03 -0.00 0.00 -0.00 0.00 0.00 40.66 41.98 2km6 h LEU 60 CO 0.14 0.16 -0.13 -0.37 -0.00 0.00 0.00 178.44 178.24 2km6 h VAL 61 N 0.07 0.35 -0.65 1.22 -1.51 -1.20 0.18 116.25 114.71 2km6 h VAL 61 Ca 0.03 -0.80 -0.05 0.00 -1.23 0.00 0.00 66.70 64.65 2km6 h VAL 61 Cb 0.07 1.60 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2km6 h VAL 61 CO -0.01 0.12 0.21 -1.13 -1.23 0.00 0.00 177.57 175.54 2km6 h ASN 62 N 0.00 0.94 0.00 4.19 -1.24 -0.96 -3.36 115.58 115.15 2km6 h ASN 62 Ca -0.00 -0.20 -0.29 0.00 0.71 0.00 0.00 56.30 56.51 2km6 h ASN 62 Cb 0.59 -0.25 -0.05 0.00 0.73 0.00 0.00 38.32 39.34 2km6 h ASN 62 CO 0.02 0.90 -2.10 0.35 -1.29 0.00 0.00 177.43 175.30 2km6 n THR 63 N -4.36 1.11 -3.59 -3.57 -2.24 -1.07 -5.00 114.28 95.56 2km6 n THR 63 Ca 0.04 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.07 2km6 n THR 63 Cb 0.21 -1.16 -0.05 0.00 -2.10 0.00 0.00 70.33 67.24 2km6 n THR 63 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2km6 s SER 64 N -5.83 6.54 0.33 3.42 0.01 0.61 -4.67 113.70 114.12 2km6 s SER 64 Ca -0.25 0.71 -0.28 0.00 1.31 0.00 0.00 55.95 57.43 2km6 s SER 64 Cb 0.07 -2.14 -0.10 0.00 0.21 0.00 0.00 66.02 64.06 2km6 s SER 64 CO 0.46 0.02 1.24 -0.44 0.41 0.00 0.00 173.24 174.93 2km6 s SER 65 N -2.36 6.85 0.28 2.44 0.01 -1.26 -4.49 113.70 115.17 2km6 s SER 65 Ca 0.42 2.55 -0.01 0.00 1.31 0.00 0.00 55.95 60.23 2km6 s SER 65 Cb -0.12 -2.64 0.47 0.00 0.21 0.00 0.00 66.02 63.94 2km6 s SER 65 CO 0.23 -0.47 1.90 1.05 0.41 0.00 0.00 173.24 176.36 2km6 h GLU 66 N 3.38 1.07 0.00 12.44 4.11 -1.93 -0.09 114.58 133.56 2km6 h GLU 66 Ca -0.48 -0.06 0.00 0.00 0.07 0.00 0.00 59.36 58.88 2km6 h GLU 66 Cb 1.22 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.23 2km6 h GLU 66 CO 0.65 0.71 0.00 -1.71 0.07 0.00 0.00 179.01 178.73 2km6 n ASN 67 N -4.49 0.00 0.01 3.06 2.85 -1.26 -2.34 115.26 113.09 2km6 n ASN 67 Ca 0.14 0.14 -0.14 0.00 -0.11 0.00 0.00 54.58 54.61 2km6 n ASN 67 Cb 0.19 -0.38 -0.14 0.00 1.24 0.00 0.00 39.78 40.69 2km6 n ASN 67 CO 0.00 0.00 0.00 -0.25 -2.11 0.00 0.00 177.26 174.90 2km6 h TRP 68 N 0.00 0.27 0.00 1.20 7.01 -1.42 -3.32 115.95 119.69 2km6 h TRP 68 Ca 0.00 -0.19 -0.01 0.00 2.11 0.00 0.00 58.89 60.80 2km6 h TRP 68 Cb 0.37 -0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.42 2km6 h TRP 68 CO 0.00 1.33 -0.05 0.82 -2.79 0.00 0.00 178.44 177.75 2km6 h ILE 69 N 0.04 0.24 -0.33 2.65 2.04 -0.95 -2.28 117.51 118.92 2km6 h ILE 69 Ca -0.30 -0.40 0.06 0.00 1.00 0.00 0.00 64.86 65.22 2km6 h ILE 69 Cb 2.01 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 39.39 2km6 h ILE 69 CO 0.11 0.05 0.23 0.08 0.00 0.00 0.00 178.15 178.62 2km6 h ARG 70 N 0.00 0.15 0.03 2.37 0.11 -1.64 0.61 114.38 116.01 2km6 h ARG 70 Ca -0.00 -0.01 -0.31 0.00 0.10 0.00 0.00 59.98 59.76 2km6 h ARG 70 Cb 0.31 -0.03 -0.04 0.00 1.11 0.00 0.00 29.97 31.32 2km6 h ARG 70 CO 0.01 0.10 -1.72 -1.71 0.10 0.00 0.00 179.97 176.75 2km6 n ASN 71 N -4.47 1.94 0.06 0.08 5.15 -0.88 -4.07 115.26 113.07 2km6 n ASN 71 Ca 0.04 0.33 -0.14 0.00 -0.60 0.00 0.00 54.58 54.21 2km6 n ASN 71 Cb 0.29 -0.89 -0.08 0.00 -0.53 0.00 0.00 39.78 38.58 2km6 n ASN 71 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2km6 h ALA 72 N -0.44 -0.75 -0.25 5.20 0.00 -1.10 0.15 119.26 122.07 2km6 h ALA 72 Ca -0.44 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 54.31 2km6 h ALA 72 Cb 1.55 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2km6 h ALA 72 CO -0.18 -1.00 -0.28 0.00 0.00 0.00 0.00 179.25 177.79 2km6 h THR 73 N -0.61 1.27 -0.20 0.00 1.03 -1.14 -2.24 112.91 111.02 2km6 h THR 73 Ca 0.04 -1.33 -0.10 0.00 -0.01 0.00 0.00 66.41 65.00 2km6 h THR 73 Cb 0.68 1.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.15 2km6 h THR 73 CO -0.32 0.42 -0.28 0.58 -0.01 0.00 0.00 175.52 175.91 2km6 h VAL 74 N 0.43 1.33 -0.45 0.00 2.07 -1.60 -2.04 116.25 116.00 2km6 h VAL 74 Ca 0.06 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 2km6 h VAL 74 Cb 0.71 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 2km6 h VAL 74 CO 0.05 0.46 0.23 0.78 0.02 0.00 0.00 177.57 179.11 2km6 h ASN 75 N 0.22 0.55 -0.22 0.57 4.21 -0.54 0.31 115.58 120.68 2km6 h ASN 75 Ca 0.02 -0.04 -0.03 0.00 1.21 0.00 0.00 56.30 57.46 2km6 h ASN 75 Cb 0.86 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.91 2km6 h ASN 75 CO 0.07 0.46 0.01 0.40 -1.29 0.00 0.00 177.43 177.08 2km6 h ILE 76 N 0.62 1.24 -0.69 2.81 1.08 -1.21 0.12 117.51 121.50 2km6 h ILE 76 Ca 0.16 -0.84 0.02 0.00 -0.39 0.00 0.00 64.86 63.81 2km6 h ILE 76 Cb 0.04 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.12 2km6 h ILE 76 CO -0.02 0.26 0.44 -0.07 -0.69 0.00 0.00 178.15 178.07 2km6 h LEU 77 N 0.16 0.75 -1.23 1.44 3.38 -0.59 -0.56 115.31 118.66 2km6 h LEU 77 Ca 0.06 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 2km6 h LEU 77 Cb 0.37 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2km6 h LEU 77 CO 0.01 0.53 -0.11 -0.33 0.09 0.00 0.00 178.44 178.63 2km6 h GLU 78 N 0.89 0.40 0.00 1.13 5.08 -0.24 0.13 114.58 121.96 2km6 h GLU 78 Ca 0.26 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2km6 h GLU 78 Cb -0.05 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2km6 h GLU 78 CO -0.08 0.51 -0.30 1.49 -1.00 0.00 0.00 179.01 179.63 2km6 h GLU 79 N 0.37 0.00 -0.01 2.33 4.57 0.13 -1.84 114.58 120.13 2km6 h GLU 79 Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2km6 h GLU 79 Cb 0.43 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2km6 h GLU 79 CO 0.02 0.30 -0.02 -1.33 -1.18 0.00 0.00 179.01 176.81 2km6 n MET 80 N -3.56 1.63 -1.43 1.92 2.81 -0.30 -4.91 117.12 113.27 2km6 n MET 80 Ca -0.01 -0.96 -0.13 0.00 -1.81 0.00 0.00 57.70 54.79 2km6 n MET 80 Cb 0.44 -1.48 -0.05 0.00 -0.71 0.00 0.00 33.22 31.42 2km6 n MET 80 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2km6 n ASN 81 N 0.15 -4.58 -4.71 7.83 5.15 -0.67 -4.97 115.26 113.46 2km6 n ASN 81 Ca 0.18 0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 54.07 2km6 n ASN 81 Cb 0.36 -3.27 -0.04 0.00 -0.53 0.00 0.00 39.78 36.30 2km6 n ASN 81 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2km6 s LEU 82 N -3.06 4.35 -0.03 1.20 1.43 0.35 -4.91 118.68 118.00 2km6 s LEU 82 Ca 0.00 1.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.55 2km6 s LEU 82 Cb 0.00 -3.37 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 2km6 s LEU 82 CO 0.00 -0.20 -0.03 0.35 0.23 0.00 0.00 176.35 176.70 2km6 n THR 83 N 3.84 0.14 -0.03 5.49 -2.24 -1.26 -4.09 114.28 116.13 2km6 n THR 83 Ca 0.03 -0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.76 2km6 n THR 83 Cb 0.51 -1.52 -0.01 0.00 -2.10 0.00 0.00 70.33 67.21 2km6 n THR 83 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2km6 h GLU 84 N -0.09 -0.03 0.00 -0.78 9.09 -2.00 0.43 114.58 121.20 2km6 h GLU 84 Ca -0.07 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 59.26 2km6 h GLU 84 Cb 1.06 0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 28.15 2km6 h GLU 84 CO -0.04 -0.02 -0.42 1.37 0.05 0.00 0.00 179.01 179.95 2km6 h LEU 85 N -0.03 0.00 -0.75 3.06 -0.00 -2.00 -3.10 115.31 112.49 2km6 h LEU 85 Ca 0.01 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.81 2km6 h LEU 85 Cb 0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.70 2km6 h LEU 85 CO -0.09 0.42 0.07 0.00 -0.00 0.00 0.00 178.44 178.83 2km6 h LYS 87 N 0.95 0.00 -0.22 0.00 1.57 -0.12 0.35 116.57 119.10 2km6 h LYS 87 Ca 0.18 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 2km6 h LYS 87 Cb 0.46 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2km6 h LYS 87 CO 0.02 0.30 -0.56 0.52 -0.57 0.00 0.00 179.45 179.16 2km6 h MET 88 N 0.00 0.67 -0.53 3.15 2.86 -1.27 -0.79 114.93 119.01 2km6 h MET 88 Ca -0.00 -0.43 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 2km6 h MET 88 Cb 0.70 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.39 2km6 h MET 88 CO 0.04 1.05 0.09 0.00 1.06 0.00 0.00 176.91 179.14 2km6 h ALA 89 N 0.87 0.71 -0.51 6.32 0.00 -0.30 0.59 119.26 126.94 2km6 h ALA 89 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2km6 h ALA 89 Cb 1.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2km6 h ALA 89 CO 0.11 0.45 0.27 0.87 0.00 0.00 0.00 179.25 180.95 2km6 h LYS 90 N 0.77 0.69 -0.02 0.00 1.57 -0.80 0.17 116.57 118.95 2km6 h LYS 90 Ca 0.16 -0.07 -0.22 0.00 -1.87 0.00 0.00 60.65 58.66 2km6 h LYS 90 Cb 0.40 -0.14 0.02 0.00 0.08 0.00 0.00 32.23 32.59 2km6 h LYS 90 CO 0.01 0.51 -0.84 0.00 -0.57 0.00 0.00 179.45 178.56 2km6 h ALA 91 N 1.60 0.13 0.00 3.86 0.00 -0.52 -3.32 119.26 121.01 2km6 h ALA 91 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2km6 h ALA 91 Cb 0.03 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2km6 h ALA 91 CO -0.03 0.56 -0.61 0.39 0.00 0.00 0.00 179.25 179.56 2km6 n GLU 92 N -4.00 0.41 0.10 0.00 -0.58 0.14 -4.63 120.64 112.08 2km6 n GLU 92 Ca -0.10 0.36 -0.04 0.00 -0.42 0.00 0.00 57.16 56.96 2km6 n GLU 92 Cb 0.78 -1.45 0.01 0.00 -0.57 0.00 0.00 31.44 30.21 2km6 n GLU 92 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2km6 h MET 93 N -0.85 0.00 -6.28 3.49 4.05 -0.86 -3.40 114.93 111.07 2km6 h MET 93 Ca 0.00 0.00 -0.56 0.00 -0.28 0.00 0.00 59.70 58.86 2km6 h MET 93 Cb 0.61 0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.32 2km6 h MET 93 CO 0.00 0.81 1.19 -1.64 0.23 0.00 0.00 176.91 177.51 2km6 s MET 94 N -3.06 3.31 0.39 0.39 -1.94 -0.96 -4.72 119.30 112.72 2km6 s MET 94 Ca 0.00 -0.50 -0.27 0.00 -1.71 0.00 0.00 55.69 53.21 2km6 s MET 94 Cb 0.11 -4.53 -0.10 0.00 2.01 0.00 0.00 34.83 32.31 2km6 s MET 94 CO 0.79 -2.17 1.48 -1.21 -0.01 0.00 0.00 175.02 173.89 2km6 s GLU 95 N 5.52 4.00 1.16 2.03 2.02 -1.26 -4.82 118.70 127.35 2km6 s GLU 95 Ca 0.38 2.54 -0.17 0.00 0.02 0.00 0.00 54.97 57.75 2km6 s GLU 95 Cb -0.06 -2.89 0.26 0.00 0.10 0.00 0.00 34.13 31.54 2km6 s GLU 95 CO 0.08 -0.61 1.09 0.34 0.02 0.00 0.00 175.26 176.18 2km6 s ASP 96 N -0.22 1.28 -0.93 -0.19 2.15 -1.26 -4.82 116.67 112.68 2km6 s ASP 96 Ca 0.55 0.84 -0.15 0.00 0.43 0.00 0.00 52.55 54.21 2km6 s ASP 96 Cb -0.46 -1.24 -0.10 0.00 -0.30 0.00 0.00 42.92 40.83 2km6 s ASP 96 CO 0.62 -3.93 2.06 0.61 -0.17 0.00 0.00 175.17 174.37 2km6 n GLY 97 N -0.78 3.03 0.00 2.66 0.00 -1.26 -5.27 105.19 103.56 2km6 n GLY 97 Ca 0.10 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 45.04 2km6 n GLY 97 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26